N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine

C17H21N3 — CID 62286266

IUPACN-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine
SMILESc1ccc2c(N3CCCC3)nc(CNC3CC3)cc2c1
InChIInChI=1S/C17H21N3/c1-2-6-16-13(5-1)11-15(12-18-14-7-8-14)19-17(16)20-9-3-4-10-20/h1-2,5-6,11,14,18H,3-4,7-10,12H2
InChIKeyFVKYJDAKGLBFPC-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.09
Rot. Bonds4

About N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine

N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine (PubChem CID 62286266) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine
PubChem CID62286266
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine
SMILESc1ccc2c(N3CCCC3)nc(CNC3CC3)cc2c1
InChIInChI=1S/C17H21N3/c1-2-6-16-13(5-1)11-15(12-18-14-7-8-14)19-17(16)20-9-3-4-10-20/h1-2,5-6,11,14,18H,3-4,7-10,12H2
InChIKeyFVKYJDAKGLBFPC-UHFFFAOYSA-N
XLogP3.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]propan-1-amine
CID 62286096
2-methyl-N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]propan-1-amine
CID 62286435
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43281135
N-[[1-(cyclopropylmethoxy)isoquinolin-3-yl]methyl]cyclopropanamine
CID 62291500
N-[(1-propoxyisoquinolin-3-yl)methyl]cyclopropanamine
CID 62292584
N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 55114380
N-[(1-morpholin-4-ylisoquinolin-3-yl)methyl]propan-1-amine
CID 62285237
N-[(4-thiomorpholin-4-ylquinolin-2-yl)methyl]cyclopropanamine
CID 63373997
3-(chloromethyl)-1-(4-propan-2-ylpiperidin-1-yl)isoquinoline
CID 103501472
1-pyrrolidin-1-ylisoquinoline-3-carbonitrile
CID 141110344
1-pyrrolidin-1-ylisoquinoline-3-carboxylic acid
CID 43343329
[1-(3,6-dihydro-2H-pyridin-1-yl)isoquinolin-3-yl]methanamine
CID 114412498

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine (CID 62286266) is N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine is c1ccc2c(N3CCCC3)nc(CNC3CC3)cc2c1.
What is the InChIKey of N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine?
The InChIKey is FVKYJDAKGLBFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-6-16-13(5-1)11-15(12-18-14-7-8-14)19-17(16)20-9-3-4-10-20/h1-2,5-6,11,14,18H,3-4,7-10,12H2.
What are the key properties of N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine?
N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine has a molecular weight of 267.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62286266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).